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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 31-Mar-2023 | HALPERIDOL_2 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1579.85536540; Eh | |||
 | 31-Mar-2023 | HALPERIDOL_4 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1579.78841014; Eh | |||
 | 31-Mar-2023 | INDOMETHACIN_2 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1549.98585439; Eh | |||
 | 31-Mar-2023 | INDOMETHACIN_1 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1549.99395873; Eh | |||
 | 31-Mar-2023 | INDOMETHACIN_7 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1550.00086509; Eh | |||
 | 31-Mar-2023 | INDOMETHACIN_6 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1549.98393719; Eh | |||
 | 31-Mar-2023 | INDOMETHACIN_5 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1549.99390394; Eh | |||
 | 31-Mar-2023 | IOPANOIC_ACID_R_5 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1525.37337920; Eh | |||
 | 31-Mar-2023 | IOPANOIC_ACID_R_4 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1525.37638803; Eh | |||
 | 31-Mar-2023 | KETOTIFEN_1 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1264.04674186; Eh |
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